1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine

C13H17BrFNO3S — CID 61217396

IUPAC1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
SMILESCCOC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C13H17BrFNO3S/c1-2-19-11-5-7-16(8-6-11)20(17,18)13-4-3-10(15)9-12(13)14/h3-4,9,11H,2,5-8H2,1H3
InChIKeyUHONPVRAFZCTEH-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine

1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine (PubChem CID 61217396) has the molecular formula C13H17BrFNO3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
PubChem CID61217396
Molecular FormulaC13H17BrFNO3S
Molecular Weight366.25 g/mol
Exact Mass365.01
IUPAC Name1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
SMILESCCOC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C13H17BrFNO3S/c1-2-19-11-5-7-16(8-6-11)20(17,18)13-4-3-10(15)9-12(13)14/h3-4,9,11H,2,5-8H2,1H3
InChIKeyUHONPVRAFZCTEH-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromo-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990532
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
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1-(2-bromo-4-fluorophenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113254437
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
CID 107326940
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 82689238
4-(2-bromoethoxy)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 82687785
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine (CID 61217396) is 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine is CCOC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine?
The InChIKey is UHONPVRAFZCTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3S/c1-2-19-11-5-7-16(8-6-11)20(17,18)13-4-3-10(15)9-12(13)14/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine?
1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine has a molecular weight of 366.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine is sourced from PubChem (CID 61217396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).